Author

A. Tripathi

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Open access Sep 2026

Cross-docking and redocking reveal distinct determinants of success in physics-based and AI-driven binding pose prediction in protein–ligand complexes

Protein–ligand pose prediction is central to structure-based drug discovery, yet the relative performance of physics-based and AI-driven methods under realistic cross-docking conditions remains insufficiently characterized. Here, we compare physics-based docking methods (AutoDock4, AutoDock Vina, and DOCK 6) with data-...

Kapali Suri, Anshul Yadav, A. Tripathi et al. · RSC Advances · 0 citations

Open access Jan 2026

Exposure the Hazardous Potential of Quinalphos: An In‐Depth Analysis for Environmental and Biological Effects on Human Health

This analysis provides a comprehensive understanding of the mechanisms of QP‐induced toxicity, focusing on humans, and underscores the need for further studies on exposure to QP, providing valuable insights for toxicological risk assessment and regulatory evaluation.

J. Choudhari, B. P. Sahariah, Anandkumar Jayapal et al. · IET Systems Biology · 0 citations